REMARK  Name = BDB051648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.848  -1.132  -1.770  0.00  0.00    +0.222 C 
ATOM      2  N   LIG    1        0.029  -0.245  -1.080  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.342  -0.688  -0.759  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -1.387  -1.860   0.247  0.00  0.00    +0.131 C 
ATOM      5  N   LIG    1       -2.754  -2.271   0.515  0.00  0.00    -0.309 N 
ATOM      6  H   LIG    1       -2.951  -3.216   0.821  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.772  -1.369   0.699  0.00  0.00    +0.244 C 
ATOM      8  C   LIG    1       -3.461   0.059   0.406  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -4.365   1.048   0.805  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -4.064   2.393   0.592  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.852   2.753   0.004  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.935   1.770  -0.389  0.00  0.00    -0.040 A 
ATOM     13  C   LIG    1       -0.603   2.143  -0.976  0.00  0.00    +0.054 C 
ATOM     14  O   LIG    1       -4.872  -1.723   1.102  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.253   0.411  -0.228  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1        0.437   1.083  -0.607  0.00  0.00    +0.113 C 
ATOM     17  O   LIG    1        0.415  -2.218  -2.170  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        2.295  -0.767  -2.043  0.00  0.00    +0.158 C 
BRANCH  18  22
ATOM     19  C   LIG    1        4.695   0.534   2.074  0.00  0.00    +0.066 C 
ATOM     20  C   LIG    1        4.192  -0.432   1.065  0.00  0.00    +0.046 A 
ATOM     21  N   LIG    1        3.459   0.051  -0.007  0.00  0.00    -0.249 NA
ATOM     22  C   LIG    1        3.095  -0.941  -0.795  0.00  0.00    +0.087 A 
ATOM     23  S   LIG    1        3.627  -2.501  -0.303  0.00  0.00    -0.080 S 
ATOM     24  C   LIG    1        4.381  -1.800   1.064  0.00  0.00    +0.070 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 2